UCSF

ZINC67741070

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 19 Yes

Popular Name: (3R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-piperidin-3-amine (3R)-N-(1,4,5,6,7,8-hexahydrocyc…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 4.97 -31.35 3 4 1 45 263.409 3 ↓
Hi High (pH 8-9.5) 1.87 2.51 -4.38 2 4 0 44 262.401 3 ↓
Mid Mid (pH 6-8) 1.87 4.02 -40.44 3 4 1 49 263.409 3 ↓
Lo Low (pH 4.5-6) 1.87 6.24 -118.37 4 4 2 50 264.417 3 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.